SCHEMBL9319682

SCHEMBL9319682

CCCN(CCC)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2C#N)c(NC(=O)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
ALDH1A1 P00352 8/20 0.36
MAPT P10636 7/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 1/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9319684 1.00 LMNA (0.39) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL9319464 0.97 LMNA (0.38) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL9319467 0.97 LMNA (0.38) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL10941541 0.95 LMNA (0.38) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL15886781 0.94 LMNA (0.42) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL29363120 0.93 LMNA (0.40) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL9319847 0.93 LMNA (0.40) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL9319844 0.93 LMNA (0.40) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL17324183 0.91 LMNA (0.44) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL10943856 0.88 RECQL (0.36) LMNAALDH1A1MAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300626-B1 Disperse dye mixture ZENECA LTD (GB) 1994-01-19 EP claimed
EP-0300626-B1 Disperse dye mixture ZENECA LTD (GB) 1994-01-19 EP disclosed